Basic information
- CAS
113297-14-6- Standard SMILES
C1=CC2(CCCCO2)OCC1- InChIKey
SNYOYCMJYVTWEA-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 1,7-Dioxaspiro[5.5]undec-4-ene
- IUPAC
- 1,7-dioxaspiro[5.5]undec-4-ene
- English name
- 1,7-Dioxaspiro5.5undec-4-ene
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
1,7-Dioxaspiro[5.5]undec-4-ene1,7-Dioxaspiro5.5undec-4-eneDTXSID003405991,7-Dioxaspiro(5.5)undec-4-eneRefChem:221703DTXCID70291680SNYOYCMJYVTWEA-UHFFFAOYSA-N113297-14-6SCHEMBL5326716
Database identifiers
- CAS
113297-14-6- PubChem CID
- 565984
- DTXSID
DTXSID00340599- Nikkaji
- J591.435C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 231.3 · 231.3±40.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information1,7-Dioxaspiro5.5undec-4-ene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Suppliers1 total
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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